4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione

C13H17N3O2 — CID 79507339

IUPAC4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
SMILESCNc1ncccc1CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C13H17N3O2/c1-9-6-11(17)16(12(18)7-9)8-10-4-3-5-15-13(10)14-2/h3-5,9H,6-8H2,1-2H3,(H,14,15)
InChIKeyNADMGEPTGWEIRR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds3

About 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione

4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione (PubChem CID 79507339) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
PubChem CID79507339
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
SMILESCNc1ncccc1CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C13H17N3O2/c1-9-6-11(17)16(12(18)7-9)8-10-4-3-5-15-13(10)14-2/h3-5,9H,6-8H2,1-2H3,(H,14,15)
InChIKeyNADMGEPTGWEIRR-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
The IUPAC name of 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione (CID 79507339) is 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione is CNc1ncccc1CN1C(=O)CC(C)CC1=O.
What is the InChIKey of 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
The InChIKey is NADMGEPTGWEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-11(17)16(12(18)7-9)8-10-4-3-5-15-13(10)14-2/h3-5,9H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione has a molecular weight of 247.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 79507339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).